N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine

C18H20Br2N2 — CID 5244470

IUPACN-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C18H20Br2N2/c19-15-5-7-16(8-6-15)21-17-9-11-22(12-10-17)13-14-3-1-2-4-18(14)20/h1-8,17,21H,9-13H2
InChIKeyJSBULOBNIDAOFB-UHFFFAOYSA-N
MW424.18 g/mol
LogP5.29
Rot. Bonds4

About N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine

N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine (PubChem CID 5244470) has the molecular formula C18H20Br2N2 and a molecular weight of 424.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
PubChem CID5244470
Molecular FormulaC18H20Br2N2
Molecular Weight424.18 g/mol
Exact Mass422.00
IUPAC NameN-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C18H20Br2N2/c19-15-5-7-16(8-6-15)21-17-9-11-22(12-10-17)13-14-3-1-2-4-18(14)20/h1-8,17,21H,9-13H2
InChIKeyJSBULOBNIDAOFB-UHFFFAOYSA-N
XLogP5.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.18
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine (CID 5244470) is N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine is Brc1ccc(NC2CCN(Cc3ccccc3Br)CC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine?
The InChIKey is JSBULOBNIDAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2/c19-15-5-7-16(8-6-15)21-17-9-11-22(12-10-17)13-14-3-1-2-4-18(14)20/h1-8,17,21H,9-13H2.
What are the key properties of N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine?
N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine has a molecular weight of 424.18 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 5244470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).